SCHEMBL13428983

SCHEMBL13428983

CCOC(=O)/C=C/c1cnc(NCCNC(=O)C(C)C)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.42
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP3A4 P08684 1/20 0.37
FDPS P14324 1/20 0.37
BRD4 O60885 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8179715 0.88 ALDH1A1 (0.47) ALDH1A1MAPTHPGDTSHRHSD17B10
SCHEMBL13428825 0.86 ALDH1A1 (0.51) ALDH1A1MAPTHPGDTSHRHSD17B10
SCHEMBL13429108 0.84 ALDH1A1 (0.44) ALDH1A1MAPTHPGDTSHRHSD17B10
SCHEMBL13428547 0.84 STK17B (0.47) ALDH1A1L3MBTL1TTRDPP4CA12
SCHEMBL13428988 0.84 L3MBTL1 (0.46) ALDH1A1MAPTHPGDL3MBTL1TTR
SCHEMBL13428981 0.83 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1TTRDPP4
SCHEMBL13428982 0.81 ALDH1A1 (0.44) ALDH1A1MAPTHPGDTSHRHSD17B10
SCHEMBL13428535 0.74 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTSHRHSD17B10
SCHEMBL20964629 0.72 SMN1; SMN2 (0.69) ALDH1A1MAPTL3MBTL1CYP3A4SMN1; SMN2
SCHEMBL8179233 0.71 STK17B (0.40) ALDH1A1TTRDPP4CA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 ALDH1A1 1516/4885MAPT 3794/4885HPGD 302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.